1-undec-1-en-2-yl-2H-pyrazine;1-undec-2-en-2-yl-2H-pyrazine

C30H52N4 — CID 157070850

IUPAC1-undec-1-en-2-yl-2H-pyrazine;1-undec-2-en-2-yl-2H-pyrazine
SMILESC=C(CCCCCCCCC)N1C=CN=CC1.CCCCCCCCC=C(C)N1C=CN=CC1
InChIInChI=1S/2C15H26N2/c2*1-3-4-5-6-7-8-9-10-15(2)17-13-11-16-12-14-17/h10-13H,3-9,14H2,1-2H3;11-13H,2-10,14H2,1H3
InChIKeyACKKHMRRLMYCCD-UHFFFAOYSA-N
MW468.77 g/mol
LogP9.00
Rot. Bonds17

About 1-undec-1-en-2-yl-2H-pyrazine;1-undec-2-en-2-yl-2H-pyrazine

1-undec-1-en-2-yl-2H-pyrazine;1-undec-2-en-2-yl-2H-pyrazine (PubChem CID 157070850) has the molecular formula C30H52N4 and a molecular weight of 468.77 g/mol. Its IUPAC name is 1-undec-1-en-2-yl-2H-pyrazine;1-undec-2-en-2-yl-2H-pyrazine.

Molecular Properties

Compound Name1-undec-1-en-2-yl-2H-pyrazine;1-undec-2-en-2-yl-2H-pyrazine
PubChem CID157070850
Molecular FormulaC30H52N4
Molecular Weight468.77 g/mol
Exact Mass468.42
IUPAC Name1-undec-1-en-2-yl-2H-pyrazine;1-undec-2-en-2-yl-2H-pyrazine
SMILESC=C(CCCCCCCCC)N1C=CN=CC1.CCCCCCCCC=C(C)N1C=CN=CC1
InChIInChI=1S/2C15H26N2/c2*1-3-4-5-6-7-8-9-10-15(2)17-13-11-16-12-14-17/h10-13H,3-9,14H2,1-2H3;11-13H,2-10,14H2,1H3
InChIKeyACKKHMRRLMYCCD-UHFFFAOYSA-N
XLogP9.00
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.77
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-undec-1-en-2-yl-2H-pyrazine;1-undec-2-en-2-yl-2H-pyrazine?
The IUPAC name of 1-undec-1-en-2-yl-2H-pyrazine;1-undec-2-en-2-yl-2H-pyrazine (CID 157070850) is 1-undec-1-en-2-yl-2H-pyrazine;1-undec-2-en-2-yl-2H-pyrazine.
What is the SMILES notation for 1-undec-1-en-2-yl-2H-pyrazine;1-undec-2-en-2-yl-2H-pyrazine?
The canonical SMILES for 1-undec-1-en-2-yl-2H-pyrazine;1-undec-2-en-2-yl-2H-pyrazine is C=C(CCCCCCCCC)N1C=CN=CC1.CCCCCCCCC=C(C)N1C=CN=CC1.
What is the InChIKey of 1-undec-1-en-2-yl-2H-pyrazine;1-undec-2-en-2-yl-2H-pyrazine?
The InChIKey is ACKKHMRRLMYCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H26N2/c2*1-3-4-5-6-7-8-9-10-15(2)17-13-11-16-12-14-17/h10-13H,3-9,14H2,1-2H3;11-13H,2-10,14H2,1H3.
What are the key properties of 1-undec-1-en-2-yl-2H-pyrazine;1-undec-2-en-2-yl-2H-pyrazine?
1-undec-1-en-2-yl-2H-pyrazine;1-undec-2-en-2-yl-2H-pyrazine has a molecular weight of 468.77 g/mol, XLogP of 9.00, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-undec-1-en-2-yl-2H-pyrazine;1-undec-2-en-2-yl-2H-pyrazine is sourced from PubChem (CID 157070850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).